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Substance Name: Penicillenic acid
RN: 10250-99-4
InChIKey: LJJFZCGLRICWLJ-HWKANZROSA-N

Molecular Formula

  • C9-H12-N2-O4-S

Molecular Weight

  • 244.2698
 
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Names and Synonyms

Name of Substance

  • Penicillenic acid

Synonym

  • 3-Mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)valine

Systematic Name

  • Valine, 3-mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)-

Registry Numbers

CAS Registry Number

  • 10250-99-4

System Generated Number

  • 0010250994

Structure Descriptors

InChI

1S/C9H12N2O4S/c1-9(2,16)6(7(12)13)10-3-5-8(14)15-4-11-5/h3-4,6,10,16H,1-2H3,(H,12,13)/b5-3+

InChIKey

LJJFZCGLRICWLJ-HWKANZROSA-N

Smiles

CC(C)(C(C(=O)O)N/C=C/1\C(=O)OC=N1)S